Molecule

ID:80855

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₃BrNP
Molecular Mass
398.360481
Exact Mass
397.15339869
Charge
0
InChI
InChI=1S/C20H33NP.BrH/c1-4-7-14-22(15-8-5-2,16-9-6-3)18-20-12-10-19(17-21)11-13-20;/h10-13H,4-9,14-16,18H2,1-3H3;1H/q+1;/p-1
InChIKey
WZJXHMOAONNTER-UHFFFAOYSA-M
Canonic Smiles
CCCC[P+](Cc1ccc(cc1)C#N)(CCCC)CCCC.[Br-]
Isomeric Smiles
N#Cc1ccc(cc1)C[P+](CCCC)(CCCC)CCCC.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.82885
LogD (pH = 7.4)
5.82885
Log P
5.82885
Molar Refractivity
99.5482
Polarizability
39.23641
Polar Surface Area
23.79
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation